Calcipotriol Monohydrate, >95% (HPLC)

cas: 147657-22-5 — see every product listed under this CAS number, including other names

Calcipotriol Monohydrate, >95% (HPLC) (CAS 147657-22-5) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-C144230-10MG
cas147657-22-5
size10mg
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Available pack sizes

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TRC 10mg price on request
TRC 50mg price on request

properties

purity>95% (HPLC)
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Calcipotriol hydrate is a hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. It has a role as an antipsoriatic. It contains a calcipotriol.

Source: ChEBI

Identity
Molecular formulaC27H42O4
Molecular weight430.6 g/mol
IUPAC nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate
InChIKeyXBKHACNRWFKJNC-MANNPBRJSA-N
SMILESC[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C.O

Computed by PubChem (NCBI)

Synonyms: Calcipotriol monohydrate, CALCIPOTRIENE HYDRATE, Calcipotriene monohydrate, Calcipotriol hydrate, Calcipotriol (monohydrate), Dovonex (TN), Calcipotriol hydrate (JAN), CALCIPOTRIOL HYDRATE [JAN], Calcipotriol monohydrate CRS, Calcipotriol hydrate, >=98% (HPLC)
Isomers (same molecular formula)
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one C27H42O4
methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol C27H42O4
(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4
methyl (4R)-4-[(3R,5R,6Z,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-8,16-diol C27H42O4
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methylheptan-4-one C27H42O4
(2R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4
(6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4
methyl (4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one C27H42O4
(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4

Also listed as

Calcipotriol monohydrate TargetMol CAS 147657-22-5
Calcipotriol monohydrate - Bio-X â„¢ Biosynth CAS 147657-22-5
Calcipotriol (monohydrate), 99.95% MedChemExpress CAS 147657-22-5
Calcipotriol (monohydrate) (Standard) MedChemExpress CAS 147657-22-5
Calcipotriol monohydrate, BioScience Grade, 10 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 25 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 50 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 100 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 250 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 500 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, 98% （NMR） Ambeed CAS 147657-22-5
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol hydrate, 98% （NMR） BLDpharm CAS 147657-22-5